Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15498167 | 0.93 | CYP1A2 (0.49) | ALDH1A1SMN1; SMN2NPSR1HTTCYP1A2 | |
| SCHEMBL18994885 | 0.92 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2NPSR1HTTCYP1A2 | |
| SCHEMBL30877118 | 0.91 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2NPSR1HTTCYP1A2 | |
| SCHEMBL30877102 | 0.90 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPSR1HTTCYP1A2 | |
| SCHEMBL16467912 | 0.90 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2HTTCYP1A2CYP2D6 | |
| SCHEMBL3127049 | 0.89 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2HTTCYP1A2CYP2D6 | |
| SCHEMBL6674347 | 0.89 | CYP1A2 (0.54) | ALDH1A1SMN1; SMN2HTTCYP1A2CYP2D6 | |
| SCHEMBL16468408 | 0.87 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2HTTCYP1A2CYP2D6 | |
| SCHEMBL16467927 | 0.86 | SLC2A1 (0.49) | ALDH1A1SMN1; SMN2LMNAMAPTACHE | |
| SCHEMBL16467937 | 0.86 | LPAR1 (0.44) | ALDH1A1SMN1; SMN2HTTCYP1A2CYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011072241-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |